CID 47002902

[1-(5-nitropyridin-2-yl)piperidin-4-yl]methanol

Structural Information

Molecular Formula
C11H15N3O3
SMILES
C1CN(CCC1CO)C2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H15N3O3/c15-8-9-3-5-13(6-4-9)11-2-1-10(7-12-11)14(16)17/h1-2,7,9,15H,3-6,8H2
InChIKey
LJSPBMQDDUPONQ-UHFFFAOYSA-N
Compound name
[1-(5-nitropyridin-2-yl)piperidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

237.11134 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11862 151.5
[M+Na]+ 260.10056 156.1
[M-H]- 236.10406 153.7
[M+NH4]+ 255.14516 164.6
[M+K]+ 276.07450 149.1
[M+H-H2O]+ 220.10860 147.4
[M+HCOO]- 282.10954 169.8
[M+CH3COO]- 296.12519 182.5
[M+Na-2H]- 258.08601 157.9
[M]+ 237.11079 145.3
[M]- 237.11189 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe